smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000038857794	398557942	/nfs/dbraw/zinc/55/79/42/398557942.db2.gz	RIZFITNYEJRQQU-UHFFFAOYSA-N	-2	0	302.242	2.735	40	5		DFBBRL
O=C([O-])c1ccccc1Nc1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000004361828	181102917	/nfs/dbraw/zinc/10/29/17/181102917.db2.gz	WWICBKVKLIBPOT-UHFFFAOYSA-N	-2	0	302.242	2.735	40	5		DFBBRL
CC(C)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000033458641	280590071	/nfs/dbraw/zinc/59/00/71/280590071.db2.gz	DYUKDMLWCXKOSP-YVMONPNESA-N	-2	0	301.302	2.678	40	5		DFBBRL
O=C([O-])C(C(=O)[O-])[C@@H](O)c1c2ccccc2cc2ccccc21	ZINC000006576406	181356188	/nfs/dbraw/zinc/35/61/88/181356188.db2.gz	VEEGYXRUTFERSX-INIZCTEOSA-N	-2	0	310.305	2.812	40	5		DFBBRL
O=C([O-])C(C(=O)[O-])[C@H](O)c1c2ccccc2cc2ccccc21	ZINC000001593359	425582958	/nfs/dbraw/zinc/58/29/58/425582958.db2.gz	VEEGYXRUTFERSX-MRXNPFEDSA-N	-2	0	310.305	2.812	40	5		DFBBRL
O=C([O-])c1cccc(Nc2c(C(=O)[O-])cccc2[N+](=O)[O-])c1	ZINC000005582316	181260343	/nfs/dbraw/zinc/26/03/43/181260343.db2.gz	OADNRDRCKJFASV-UHFFFAOYSA-N	-2	0	302.242	2.735	40	5		DFBBRL
O=C([O-])c1cccc(Oc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1	ZINC000001689776	425584900	/nfs/dbraw/zinc/58/49/00/425584900.db2.gz	SDHPBOVVJDIAGF-UHFFFAOYSA-N	-2	0	303.226	2.784	40	5		DFBBRL